N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide

C20H23N5O2 — CID 172665840

IUPACN-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide
SMILESCCC(NC(=O)c1ccc(C)c(NC(=O)c2ccc[nH]2)c1)c1ccnn1C
InChIInChI=1S/C20H23N5O2/c1-4-15(18-9-11-22-25(18)3)23-19(26)14-8-7-13(2)17(12-14)24-20(27)16-6-5-10-21-16/h5-12,15,21H,4H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyBZHHVCOLCSXUSJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.19
Rot. Bonds6

About N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide

N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 172665840) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide
PubChem CID172665840
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide
SMILESCCC(NC(=O)c1ccc(C)c(NC(=O)c2ccc[nH]2)c1)c1ccnn1C
InChIInChI=1S/C20H23N5O2/c1-4-15(18-9-11-22-25(18)3)23-19(26)14-8-7-13(2)17(12-14)24-20(27)16-6-5-10-21-16/h5-12,15,21H,4H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyBZHHVCOLCSXUSJ-UHFFFAOYSA-N
XLogP3.19
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide
CID 50968548
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide
CID 125437307
6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-oxo-1H-pyridine-2-carboxamide
CID 126436244
methyl 4-methyl-3-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 6467487
methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate
CID 125440800
5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide
CID 91783089
3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide
CID 55656426
N-(2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 47009571
3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
N-(2,5-dimethylpyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 110470794
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97203575
2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol
CID 95121354

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide (CID 172665840) is N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide is CCC(NC(=O)c1ccc(C)c(NC(=O)c2ccc[nH]2)c1)c1ccnn1C.
What is the InChIKey of N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is BZHHVCOLCSXUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-4-15(18-9-11-22-25(18)3)23-19(26)14-8-7-13(2)17(12-14)24-20(27)16-6-5-10-21-16/h5-12,15,21H,4H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide?
N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 172665840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).